BDBM50307714 (4S)-4-{[(4-{[(3-Methoxypropyl)(methyl)amino]carbonyl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)-carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL603150

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CCCOC

InChI Key: InChIKey=SLXAACDNUYCYPL-SANMLTNESA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307714   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50307714 ((4S)-4-{[(4-{[(3-Methoxypropyl)(methyl)amino]carbo...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CCCOC |r| Show InChI InChI=1S/C33H45N5O8/c1-4-5-9-21-46-33(44)38-18-16-37(17-19-38)32(43)26(13-14-29(39)40)35-30(41)28-23-25(31(42)36(2)15-10-20-45-3)22-27(34-28)24-11-7-6-8-12-24/h6-8,11-12,22-23,26H,4-5,9-10,13-21H2,1-3H3,(H,35,41)(H,39,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
					More data for this Ligand-Target Pair